2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol

C22H21FN4O2 — CID 147902787

IUPAC2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol
SMILESCOc1cccc(F)c1CCc1ccc(-c2ccc(CCO)nc2)c2nncn12
InChIInChI=1S/C22H21FN4O2/c1-29-21-4-2-3-20(23)19(21)10-8-17-7-9-18(22-26-25-14-27(17)22)15-5-6-16(11-12-28)24-13-15/h2-7,9,13-14,28H,8,10-12H2,1H3
InChIKeyIEPFFIDMVUNQCS-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.26
Rot. Bonds7

About 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol

2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol (PubChem CID 147902787) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol
PubChem CID147902787
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol
SMILESCOc1cccc(F)c1CCc1ccc(-c2ccc(CCO)nc2)c2nncn12
InChIInChI=1S/C22H21FN4O2/c1-29-21-4-2-3-20(23)19(21)10-8-17-7-9-18(22-26-25-14-27(17)22)15-5-6-16(11-12-28)24-13-15/h2-7,9,13-14,28H,8,10-12H2,1H3
InChIKeyIEPFFIDMVUNQCS-UHFFFAOYSA-N
XLogP3.26
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol?
The IUPAC name of 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol (CID 147902787) is 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol.
What is the SMILES notation for 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol?
The canonical SMILES for 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol is COc1cccc(F)c1CCc1ccc(-c2ccc(CCO)nc2)c2nncn12.
What is the InChIKey of 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol?
The InChIKey is IEPFFIDMVUNQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c1-29-21-4-2-3-20(23)19(21)10-8-17-7-9-18(22-26-25-14-27(17)22)15-5-6-16(11-12-28)24-13-15/h2-7,9,13-14,28H,8,10-12H2,1H3.
What are the key properties of 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol?
2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol has a molecular weight of 392.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]ethanol is sourced from PubChem (CID 147902787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).